3-Ethoxyphenol

Base Information

• Chemical Name: 3-Ethoxyphenol
• CAS No.: 621-34-1
• Molecular Formula: C8H10 O2
• Molecular Weight: 138.166
• Hs Code.: 2909500000
• European Community (EC) Number: 210-681-8
• NSC Number: 4875
• UNII: IKY4O3474A
• DSSTox Substance ID: DTXSID9060734
• Nikkaji Number: J79.756A
• Wikidata: Q27280774
• ChEMBL ID: CHEMBL449241
• Mol file: 621-34-1.mol

Synonyms:3-Ethoxyphenol;621-34-1;Phenol, 3-ethoxy-;m-Ethoxyphenol;Phenol, m-ethoxy-;Resorcinol monoethyl ether;3-ethoxy-phenol;UNII-IKY4O3474A;IKY4O3474A;NSC 4875;NSC-4875;EINECS 210-681-8;AI3-00795;NSC4875;3-(ethyloxy)phenol;3-ethoxyphenol, AldrichCPR;SCHEMBL365637;CHEMBL449241;DTXSID9060734;CK1178;MFCD00016450;STL453725;AKOS009156557;AS-45838;E0051;FT-0615636;FT-0668390;EN300-61948;A833600;Q27280774

Chemical Property of 3-Ethoxyphenol

Chemical Property:

• Appearance/Colour: Clear brown.
• Vapor Pressure: 0.0186mmHg at 25°C
• Melting Point: 28-31℃
• Refractive Index: 1.539-1.541
• Boiling Point: 131 ºC (10 mmHg)
• PKA: pK1:9.655 (25°C)
• Flash Point: >93°C
• PSA: 29.46000
• Density: 1.07
• LogP: 1.79090
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: insoluble
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 93.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Ethoxyphenol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=CC(=C1)O
• Uses: 3-Ethoxyphenol is a useful reactant and reagent for organic synthesis and reactions.

Technology Process of 3-Ethoxyphenol

There total 21 articles about 3-Ethoxyphenol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 65.5%

diethyl sulfate (64-67-5) + recorcinol (108-46-3) → O-ethyl resorcinol (621-34-1)

Guidance literature:

With sodium hydroxide; at 40 ℃; for 4h;

DOI:10.1016/0223-5234(90)90187-8

Reference yield: 55.3%

ethyl bromide (74-96-4) + recorcinol (108-46-3) → O-ethyl resorcinol (621-34-1)

Guidance literature:

recorcinol; With potassium carbonate; In N,N-dimethyl-formamide; at 75 ℃; for 0.416667h; Inert atmosphere;

ethyl bromide; In N,N-dimethyl-formamide; at 95 ℃; for 3.83h; Inert atmosphere;

DOI:10.1039/c7tc01197k

Reference yield: 36.0%

ethyl iodide (75-03-6) + recorcinol (108-46-3) → O-ethyl resorcinol (621-34-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 4h;

DOI:10.1021/jm301269s

upstream raw materials:

1,3-bis-ethoxycarbonyloxy-benzene

ethanol

sodium ethanolate

ethyl iodide

Downstream raw materials:

4-methyl-7-ethoxycoumarin

diethyl-carbamic acid-(3-ethoxy-phenyl ester)

(4-ethoxy-2-hydroxy-phenyl)-glyoxylic acid

Propyl-carbamic acid 3-ethoxy-phenyl ester

Refernces

• 1、 Liu, Jie,Ma, Xuebing,Wang, Xuri,Xie, Guangxin,Yin, Zuyong,Zhang, Jianing. "Hollow, mesoporous, eutectic Zn1?xMgxO nano-spheres as solid acid-base catalysts for the highly regio-selectiveO-methylation of 1,2-diphenols". . p. 7454 - 7466. Retrieved 2021/11/23.
• 2、 Dahlgren, Markus K.,Garcia, Alvaro Baeza,Hare, Alissa A.,Tirado-Rives, Julian,Leng, Lin,Bucala, Richard,Jorgensen, William L.. "Virtual screening and optimization yield low-nanomolar inhibitors of the tautomerase activity of Plasmodium falciparum macrophage migration inhibitory factor". supporting information. p. 10148 - 10159. Retrieved 2013/01/16.